N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxidanylidene-propyl]-4-tert-butyl-benzamide Openeye Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-3-oxopropyl]-4-tert-butylbenzamide IUPAC Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-3-keto-propyl]-4-tert-butyl-benzamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C25H32N4O2S/c1-25(2,3)18-11-9-17(10-12-18)24(31)26-15-13-22(30)27-21(14-16-32-4)23-28-19-7-5-6-8-20(19)29-23/h5-12,21H,13-16H2,1-4H3,(H,26,31)(H,27,30)(H,28,29)/t21-/m0/s1